3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid

C15H18N4O2 — CID 118195686

IUPAC3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid
SMILESCn1ncc2c3c(ccc21)NCC31CCN(C(=O)O)CC1
InChIInChI=1S/C15H18N4O2/c1-18-12-3-2-11-13(10(12)8-17-18)15(9-16-11)4-6-19(7-5-15)14(20)21/h2-3,8,16H,4-7,9H2,1H3,(H,20,21)
InChIKeyDNTWQKVVUCVESO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.01
Rot. Bonds

About 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid

3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid (PubChem CID 118195686) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid
PubChem CID118195686
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid
SMILESCn1ncc2c3c(ccc21)NCC31CCN(C(=O)O)CC1
InChIInChI=1S/C15H18N4O2/c1-18-12-3-2-11-13(10(12)8-17-18)15(9-16-11)4-6-19(7-5-15)14(20)21/h2-3,8,16H,4-7,9H2,1H3,(H,20,21)
InChIKeyDNTWQKVVUCVESO-UHFFFAOYSA-N
XLogP2.01
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US11247989, Example 54
CID 132186429
US11247989, Example 55
CID 132186430
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-methylindazol-1-yl)propanamide
CID 52006379
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CID 56731642
2-methyl-N-[3-(4-methyl-1H-indazol-1-yl)propyl]propanamide
CID 56731650
N-[3-(4-methyl-1H-indazol-1-yl)propyl]butanamide
CID 60181813
Tert-butyl 4-[[[6-(4-fluorophenyl)-1-(3-pyrrolidin-1-ylpropyl)indazol-4-yl]amino]methyl]piperidine-1-carboxylate
CID 169095356
2-[(1,6-dimethylindazol-5-yl)-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]amino]-N-pentylacetamide
CID 58135331
2-[(1-ethyl-6-methylindazol-5-yl)-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]amino]-N-pentylacetamide
CID 58135439
[4,4-Dimethyl-3-[5-[2-oxo-4-[4-(trifluoromethyl)phenyl]-1-pyridinyl]indazol-1-yl]pentyl]carbamic acid
CID 66719132
tert-butyl-[[(1S,2S)-2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamic acid
CID 66720586
Tert-butyl-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamic acid
CID 66720636

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid (CID 118195686) is 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid is Cn1ncc2c3c(ccc21)NCC31CCN(C(=O)O)CC1.
What is the InChIKey of 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid?
The InChIKey is DNTWQKVVUCVESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-12-3-2-11-13(10(12)8-17-18)15(9-16-11)4-6-19(7-5-15)14(20)21/h2-3,8,16H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid?
3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[6,7-dihydropyrrolo[3,2-e]indazole-8,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 118195686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).